3-amino-3-methyl-N-(5,5,5-trifluoropentyl)butanamide

C10H19F3N2O — CID 115519388

IUPAC3-amino-3-methyl-N-(5,5,5-trifluoropentyl)butanamide
SMILESCC(C)(N)CC(=O)NCCCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-9(2,14)7-8(16)15-6-4-3-5-10(11,12)13/h3-7,14H2,1-2H3,(H,15,16)
InChIKeyQCFYWSIRLVEQRH-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.96
Rot. Bonds6

About 3-amino-3-methyl-N-(5,5,5-trifluoropentyl)butanamide

3-amino-3-methyl-N-(5,5,5-trifluoropentyl)butanamide (PubChem CID 115519388) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(5,5,5-trifluoropentyl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(5,5,5-trifluoropentyl)butanamide
PubChem CID115519388
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3-amino-3-methyl-N-(5,5,5-trifluoropentyl)butanamide
SMILESCC(C)(N)CC(=O)NCCCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-9(2,14)7-8(16)15-6-4-3-5-10(11,12)13/h3-7,14H2,1-2H3,(H,15,16)
InChIKeyQCFYWSIRLVEQRH-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(5,5,5-trifluoropentyl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(5,5,5-trifluoropentyl)butanamide (CID 115519388) is 3-amino-3-methyl-N-(5,5,5-trifluoropentyl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(5,5,5-trifluoropentyl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(5,5,5-trifluoropentyl)butanamide is CC(C)(N)CC(=O)NCCCCC(F)(F)F.
What is the InChIKey of 3-amino-3-methyl-N-(5,5,5-trifluoropentyl)butanamide?
The InChIKey is QCFYWSIRLVEQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(2,14)7-8(16)15-6-4-3-5-10(11,12)13/h3-7,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-3-methyl-N-(5,5,5-trifluoropentyl)butanamide?
3-amino-3-methyl-N-(5,5,5-trifluoropentyl)butanamide has a molecular weight of 240.27 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(5,5,5-trifluoropentyl)butanamide is sourced from PubChem (CID 115519388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).